4-[(5-bromothiophen-2-yl)methyl]piperidine

C10H14BrNS — CID 82049677

IUPAC4-[(5-bromothiophen-2-yl)methyl]piperidine
SMILESBrc1ccc(CC2CCNCC2)s1
InChIInChI=1S/C10H14BrNS/c11-10-2-1-9(13-10)7-8-3-5-12-6-4-8/h1-2,8,12H,3-7H2
InChIKeySFSAPUFJCGDLQP-UHFFFAOYSA-N
MW260.20 g/mol
LogP3.05
Rot. Bonds2

About 4-[(5-bromothiophen-2-yl)methyl]piperidine

4-[(5-bromothiophen-2-yl)methyl]piperidine (PubChem CID 82049677) has the molecular formula C10H14BrNS and a molecular weight of 260.20 g/mol. Its IUPAC name is 4-[(5-bromothiophen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(5-bromothiophen-2-yl)methyl]piperidine
PubChem CID82049677
Molecular FormulaC10H14BrNS
Molecular Weight260.20 g/mol
Exact Mass259.00
IUPAC Name4-[(5-bromothiophen-2-yl)methyl]piperidine
SMILESBrc1ccc(CC2CCNCC2)s1
InChIInChI=1S/C10H14BrNS/c11-10-2-1-9(13-10)7-8-3-5-12-6-4-8/h1-2,8,12H,3-7H2
InChIKeySFSAPUFJCGDLQP-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.20
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(5-methylthiophen-2-yl)methyl]piperidine
CID 83685814
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929706
3-[(5-bromothiophen-2-yl)methyl]piperidin-4-ol
CID 114451849
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-piperidin-4-ylethanamine
CID 115211660
N-[(5-bromothiophen-2-yl)methyl]azepan-4-amine
CID 103981707
2-bromo-5-[(3-chlorocycloheptyl)methyl]thiophene
CID 64509536
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-2-pyrrolidin-3-ylethanamine
CID 115210815
N-[(5-bromothiophen-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119923094
4-[(4-bromothiophen-2-yl)methyl]azepane
CID 83262138
1-(5-bromothiophen-2-yl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951565
5-bromo-N-methyl-N-(piperidin-4-ylmethyl)thiophene-2-sulfonamide;hydrochloride
CID 71642494
N-[(5-bromothiophen-2-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929707

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromothiophen-2-yl)methyl]piperidine?
The IUPAC name of 4-[(5-bromothiophen-2-yl)methyl]piperidine (CID 82049677) is 4-[(5-bromothiophen-2-yl)methyl]piperidine.
What is the SMILES notation for 4-[(5-bromothiophen-2-yl)methyl]piperidine?
The canonical SMILES for 4-[(5-bromothiophen-2-yl)methyl]piperidine is Brc1ccc(CC2CCNCC2)s1.
What is the InChIKey of 4-[(5-bromothiophen-2-yl)methyl]piperidine?
The InChIKey is SFSAPUFJCGDLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNS/c11-10-2-1-9(13-10)7-8-3-5-12-6-4-8/h1-2,8,12H,3-7H2.
What are the key properties of 4-[(5-bromothiophen-2-yl)methyl]piperidine?
4-[(5-bromothiophen-2-yl)methyl]piperidine has a molecular weight of 260.20 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromothiophen-2-yl)methyl]piperidine is sourced from PubChem (CID 82049677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).